2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol

C13H29NOS — CID 107764831

IUPAC2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol
SMILESCCC(C)CSCCCC(CC)(CO)NC
InChIInChI=1S/C13H29NOS/c1-5-12(3)10-16-9-7-8-13(6-2,11-15)14-4/h12,14-15H,5-11H2,1-4H3
InChIKeyXJSROZQNCMSLAJ-UHFFFAOYSA-N
MW247.45 g/mol
LogP2.91
Rot. Bonds10

About 2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol

2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol (PubChem CID 107764831) has the molecular formula C13H29NOS and a molecular weight of 247.45 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol
PubChem CID107764831
Molecular FormulaC13H29NOS
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC Name2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol
SMILESCCC(C)CSCCCC(CC)(CO)NC
InChIInChI=1S/C13H29NOS/c1-5-12(3)10-16-9-7-8-13(6-2,11-15)14-4/h12,14-15H,5-11H2,1-4H3
InChIKeyXJSROZQNCMSLAJ-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-(methylamino)-5-propan-2-ylsulfanylpentan-1-ol
CID 106810989
2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol
CID 107764817
3-(aminomethyl)-6-(2-methylbutylsulfanyl)hexan-3-ol
CID 107764964
2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid
CID 107756102
2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol
CID 106811202
2-(methylamino)-4-(2-methylbutylsulfanyl)butan-1-ol
CID 107764835
2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol
CID 106811106
2,2-dimethyl-5-(2-methylbutylsulfanyl)pentanenitrile
CID 103749732
5-[bis(3-methylbutyl)amino]-2-ethyl-2-(methylamino)pentan-1-ol
CID 107871606
5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
CID 106811083
5-(3-hydroxy-2-methylpropyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile
CID 66103636
4-(2-methylbutylsulfanyl)butane-1-thiol
CID 107766515

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol (CID 107764831) is 2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol is CCC(C)CSCCCC(CC)(CO)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol?
The InChIKey is XJSROZQNCMSLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NOS/c1-5-12(3)10-16-9-7-8-13(6-2,11-15)14-4/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol?
2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol has a molecular weight of 247.45 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol is sourced from PubChem (CID 107764831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).